N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C23H26N6O2 — CID 134079495

IUPACN-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCc1cccc(N2CCC3(CC2)OC(C(=O)Nc2cccnc2C)Cn2ccnc23)n1
InChIInChI=1S/C23H26N6O2/c1-16-5-3-7-20(26-16)28-12-8-23(9-13-28)22-25-11-14-29(22)15-19(31-23)21(30)27-18-6-4-10-24-17(18)2/h3-7,10-11,14,19H,8-9,12-13,15H2,1-2H3,(H,27,30)
InChIKeyDMZNEXIPWYIQLX-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.82
Rot. Bonds3

About N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 134079495) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID134079495
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCc1cccc(N2CCC3(CC2)OC(C(=O)Nc2cccnc2C)Cn2ccnc23)n1
InChIInChI=1S/C23H26N6O2/c1-16-5-3-7-20(26-16)28-12-8-23(9-13-28)22-25-11-14-29(22)15-19(31-23)21(30)27-18-6-4-10-24-17(18)2/h3-7,10-11,14,19H,8-9,12-13,15H2,1-2H3,(H,27,30)
InChIKeyDMZNEXIPWYIQLX-UHFFFAOYSA-N
XLogP2.82
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 134079495) is N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is Cc1cccc(N2CCC3(CC2)OC(C(=O)Nc2cccnc2C)Cn2ccnc23)n1.
What is the InChIKey of N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is DMZNEXIPWYIQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16-5-3-7-20(26-16)28-12-8-23(9-13-28)22-25-11-14-29(22)15-19(31-23)21(30)27-18-6-4-10-24-17(18)2/h3-7,10-11,14,19H,8-9,12-13,15H2,1-2H3,(H,27,30).
What are the key properties of N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 134079495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).